Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSqualene synthase
LigandBDBM50270321
Substrate/Competitorn/a
Meas. Tech.ChEMBL_520604 (CHEMBL959526)
IC50 250±n/a nM
Citation Cammerer, SBJimenez, CJones, SGros, LLorente, SORodrigues, CRodrigues, JCCaldera, ARuiz Perez, LMda Souza, WKaiser, MBrun, RUrbina, JAGonzalez Pacanowska, DGilbert, IH Quinuclidine derivatives as potential antiparasitics. Antimicrob Agents Chemother51:4049-61 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Squalene synthase
Name:Squalene synthase
Synonyms:FDFT1 | FDFT_HUMAN | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | SQS | SS | Squalene synthetase
Type:PROTEIN
Mol. Mass.:48114.76
Organism:Homo sapiens (Human)
Description:ChEMBL_1352847
Residue:417
Sequence:
MEFVKCLGHPEEFYNLVRFRIGGKRKVMPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQA
LDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQ
VLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVG
IGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYV
KKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATL
AACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTR
QIISTIRTQNLPNCQLISRSHYSPIYLSFVMLLAALSWQYLTTLSQVTEDYVQTGEH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50270321
n/a
NameBDBM50270321
Synonyms:3-[1'-{4'-(Benzyloxy)-phenyl}]-quinuclidine-2-ene | CHEMBL453439
TypeSmall organic molecule
Emp. Form.C20H21NO
Mol. Mass.291.3868
SMILESC(Oc1ccc(cc1)C1=CN2CCC1CC2)c1ccccc1 |t:9,(-1.9,-8.72,;-3.23,-7.95,;-4.56,-8.72,;-4.56,-10.26,;-5.9,-11.03,;-7.23,-10.25,;-7.23,-8.72,;-5.9,-7.95,;-8.56,-11.02,;-8.56,-12.57,;-9.9,-13.34,;-11.24,-12.57,;-11.24,-11.02,;-9.9,-10.24,;-10.64,-11.6,;-9.15,-12.01,;-.56,-7.95,;.76,-8.72,;2.1,-7.95,;2.1,-6.41,;.75,-5.64,;-.57,-6.42,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: